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	hartrees
Energy at 0K	-192.925835
Energy at 298.15K	-192.930676
HF Energy	-192.235248
Nuclear repulsion energy	148.610375

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3283	3136	0.51
2	A₁	3272	3125	8.77
3	A₁	3244	3098	1.01
4	A₁	1605	1533	0.10
5	A₁	1497	1429	2.28
6	A₁	1168	1116	0.68
7	A₁	1104	1054	9.67
8	A₁	1052	1005	7.49
9	A₁	853	815	0.27
10	A₂	875	835	0.00
11	A₂	826	789	0.00
12	A₂	519	496	0.00
13	B₁	890	850	8.14
14	B₁	729	697	10.43
15	B₁	687	656	101.02
16	B₁	499	477	9.48
17	B₂	6486	6194	102581.20
18	B₂	3252	3106	74.04
19	B₂	3243	3097	30.76
20	B₂	1392	1330	130.36
21	B₂	1311	1252	3.80
22	B₂	1165	1113	0.00
23	B₂	958	915	3.80
24	B₂	863	824	17.21

Atom	y (Å)	z (Å)
C1	0.000	1.223
C2	1.123	0.396
C3	0.681	-1.008
C4	-0.681	-1.008
C5	-1.123	0.396
H6	0.000	2.305
H7	2.158	0.721
H8	1.338	-1.869
H9	-1.338	-1.869
H10	-2.158	0.721

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10
C1		1.3949	2.3330	2.3330	1.3949	1.0814	2.2156	3.3690	3.3690	2.2156
C2	1.3949		1.4723	2.2863	2.2465	2.2146	1.0844	2.2747	3.3448	3.2972
C3	2.3330	1.4723		1.3619	2.2863	3.3821	2.2740	1.0827	2.1950	3.3240
C4	2.3330	2.2863	1.3619		1.4723	3.3821	3.3240	2.1950	1.0827	2.2740
C5	1.3949	2.2465	2.2863	1.4723		2.2146	3.2972	3.3448	2.2747	1.0844
H6	1.0814	2.2146	3.3821	3.3821	2.2146		2.6767	4.3825	4.3825	2.6767
H7	2.2156	1.0844	2.2740	3.3240	3.2972	2.6767		2.7159	4.3507	4.3158
H8	3.3690	2.2747	1.0827	2.1950	3.3448	4.3825	2.7159		2.6769	4.3507
H9	3.3690	3.3448	2.1950	1.0827	2.2747	4.3825	4.3507	2.6769		2.7159
H10	2.2156	3.2972	3.3240	2.2740	1.0844	2.6767	4.3158	4.3507	2.7159

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	108.886	C1	C2	H7	126.206
C1	C5	C4	108.886	C1	C5	H10	126.206
C2	C1	C5	107.264	C2	C1	H6	126.368
C2	C3	C4	107.482	C2	C3	H8	125.128
C3	C2	H7	124.908	C3	C4	C5	107.482
C3	C4	H9	127.391	C4	C3	H8	127.391
C4	C5	H10	124.908	C5	C1	H6	126.368
C5	C4	H9	125.128

All results from a given calculation for C₅H₅ (cyclopentadienyl radical)

using model chemistry: CCD/6-311G**

States and conformations

Conformer 1 (D5H)

Conformer 2 (C2V)

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for C5H5 (cyclopentadienyl radical)

using model chemistry: CCD/6-311G**

States and conformations

Conformer 1 (D5H)

Conformer 2 (C2V)

All results from a given calculation for C₅H₅ (cyclopentadienyl radical)